SCHEMBL16200465

SCHEMBL16200465

CN(C)C(=O)CCCc1ccc(NN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.49
ALDH1A1 P00352 3/20 0.43
KDM1A O60341 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FFAR1 O14842 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TBK1 Q9UHD2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11892344 0.83 ALDH1A1 (0.49) ALOX5ALDH1A1NPC1MAPTALOX15
SCHEMBL7034638 0.81 ALOX5 (0.53) ALOX5ALDH1A1MAPK1SMN1; SMN2TBK1
SCHEMBL10716431 0.80 NUDT1 (0.43) ALOX5HRH3POLB
SCHEMBL8786266 0.80 SMN1; SMN2 (0.60) ALDH1A1KDM1AMAPTNFKB1MAPK1
SCHEMBL9394272 0.80 ALOX5 (0.54) ALOX5ALDH1A1ALOX15FFAR1HSD17B10
SCHEMBL11135469 0.79 ALOX5 (0.50) ALOX5ALDH1A1TBK1
Hydrochloric Acid SCHEMBL10716525 0.78 NUDT1 (0.42) ALOX5MAPTHRH3POLB
SCHEMBL2632940 0.78 MAPT (0.50) ALOX5ALDH1A1KDM1ANPC1MAPT
SCHEMBL8493143 0.78 ALOX5 (0.69) ALOX5ALDH1A1NPC1MAPTALOX15
Hydrochloric Acid SCHEMBL27410606 0.76 ALOX5 (0.67) ALOX5ALDH1A1NPC1MAPTALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013187-B1 DIARYLTHIOHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2014-10-29 EP disclosed